Ultrafast internal conversion in 4-aminobenzonitrile occurs sequentially along the seam

作者：Castro Pedro J; Perveaux Aurelie; Lauvergnat David^*; Reguero Mar; Lasorne Benjamin

来源：Chemical Physics, 2018, 509: 30-36.

DOI：10.1016/j.chemphys.2018.03.013

Upon UV light absorption, 4-aminobenzonitrile undergoes an ultrafast radiationless decay process from a charge-transfer state to a locally-excited state. This pathway proceeds through an extended seam of conical intersections between the second-and first-excited singlet electronic states. Quantum dynamics simulations show that planar geometries dominate the earlier times (<20fs), after which the whole seam becomes explored, as the wavepacket spreads and breathes along both sides of the unstable ridge with respect to the amino-bending coordinate.

• 出版日期2018-6-15